CID 509152

3-(2-furyl)-2-phenyl-1,2,4-thiadiazol-2-ium-5-amine

Structural Information

Molecular Formula
C12H10N3OS
SMILES
C1=CC=C(C=C1)[N+]2=C(N=C(S2)N)C3=CC=CO3
InChI
InChI=1S/C12H9N3OS/c13-12-14-11(10-7-4-8-16-10)15(17-12)9-5-2-1-3-6-9/h1-8,13H/p+1
InChIKey
FCFSFANLSFXFMY-UHFFFAOYSA-O
Compound name
3-(furan-2-yl)-2-phenyl-1,2,4-thiadiazol-2-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06174 150.0
[M+Na]+ 267.04368 161.5
[M-H]- 243.04718 159.8
[M+NH4]+ 262.08828 167.2
[M+K]+ 283.01762 152.6
[M+H-H2O]+ 227.05172 145.5
[M+HCOO]- 289.05266 171.7
[M+CH3COO]- 303.06831 182.9
[M+Na-2H]- 265.02913 155.2
[M]+ 244.05391 152.2
[M]- 244.05501 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.